5-(Trifluoromethyl)-3-pyridinecarboxylic acid

5-(Trifluoromethyl)-3-pyridinecarboxylic acid - Names and Identifiers

Name	5-(Trifluoromethyl)nicotinic acid
Synonyms	5-TRIFLUOROMETHYLINICOTINIC ACID 5-(Trifluoromethyl)nicotinic acid 5-(TRIFLUOROMETHYL)NICOTINIC ACID 5-(Trifluoromethy)pyridine-3-carboxylic acid 5-(trifluoroMethyl)pyridin-3-carboxylic acid 5-(Trifluoromethyl)-3-pyridinecarboxylic acid 5-(TrifluoroMethyl)pyridine-3-carboxylic acid 5-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID 5-(Trifluoromethyl)pyridine-3-carboxylic acid, 3-Carboxy-5-(trifluoromethyl)pyridine
CAS	131747-40-5
InChI	InChI=1/C7H4F3NO2/c8-7(9,10)5-1-4(6(12)13)2-11-3-5/h1-3H,(H,12,13)

5-(Trifluoromethyl)-3-pyridinecarboxylic acid - Physico-chemical Properties

Molecular Formula	C7H4F3NO2
Molar Mass	191.11
Density	1.484±0.06 g/cm3(Predicted)
Melting Point	184-189℃
Boling Point	277.5±40.0 °C(Predicted)
Flash Point	121.624°C
Vapor Presure	0.002mmHg at 25°C
Appearance	White to yellow to brown powder
Color	Off-white
pKa	3.04±0.10(Predicted)
Storage Condition	Inert atmosphere,Room Temperature
Refractive Index	1.475
MDL	MFCD07774128

5-(Trifluoromethyl)-3-pyridinecarboxylic acid - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36 - Irritating to the eyes
Safety Description	26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
UN IDs	UN2811
WGK Germany	3
Hazard Class	IRRITANT

5-(Trifluoromethyl)-3-pyridinecarboxylic acid - Introduction

5-Trifluoromethylnicotinic acid is an organic compound with the chemical formula C8H4F3NO4. The following is a description of its nature, use, formulation and safety information:

Nature:
1. Appearance: 5-Trifluoromethylnicotinic acid is a colorless to white crystalline solid.
2. Solubility: It has limited solubility in water and is more soluble in organic solvents such as ethanol and dimethyl sulfoxide (DMSO).
3. Melting point: Its melting point is about 147-150°C.
4. chemical properties: 5-trifluoromethyl nicotinic acid is a strong acid, can react with alkali to generate salt.

Use:
1. pharmaceutical field: the compound can be used as an important intermediate in drug synthesis, such as the synthesis of anti-tumor drugs.
2. Chemical synthesis: It can be used for organic synthesis reactions, such as esterification, condensation and ammonolysis reactions.

Preparation Method:
The common preparation methods of 5-trifluoromethylnicotinic acid include the following two types:
1. Trifluoroformic acid and 3-fluoro-2-nitrophenylborane react to obtain trifluoromethyl p-nitrobenzene; then, it reacts with carbonyl copper difluoride to generate trifluoromethyl bipyridine (main intermediate); finally, 5-trifluoromethyl nicotinic acid is obtained by alkali treatment.
2. Another method is to synthesize the compound by reacting trifluoromethyl p-nitrobenzene borate with formic anhydride.

Safety Information:
There is little data on the safety and toxicity of 5-trifluoromethylnicotinic acid, so it is necessary to follow general laboratory safety measures when using it.
1. Wear appropriate protective gloves and glasses to avoid direct contact.
2. avoid inhalation of its dust and steam.
3. in the indoor use to ensure good ventilation.
4. During handling and storage, avoid contact with oxidants and strong bases to avoid dangerous reactions.
5. if ingestion or direct contact, should immediately seek medical help, and give appropriate treatment.

This information is only a brief description of 5-trifluoromethylnicotinic acid. If you want to learn more, please refer to relevant references and reliable literature resources.

Last Update：2024-04-09 21:54:55